HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67006204Generated: November 3, 2026
N-[(3-bromo-5-methylphenyl)methyl]-N-{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-1,3-benzenedicarboxamide
https://huagongshe.com/en/chemical/67006204
Identifiers & Physical Properties
| Molecular formula | C32H37BrN6O3 |
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| Average molar mass | 633.6 g/mol |
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| Monoisotopic mass | 632.21105 g/mol |
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| SMILES | CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CN(Cc1cc(C)cc(Br)c1)C(=O)c1cccc(C(N)=O)c1 |
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| InChIKey | KJIFYKFAIBGWAI-UHFFFAOYSA-N |
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| PubChem CID | 67006204 |
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Chemical & Physical Properties
| XLogP | 4.7 |
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| Topological polar surface area | 115 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 10 |
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| Heavy atoms | 42 |
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| Formal charge | 0 |
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| Complexity | 905 |
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![N-[(3-bromo-5-methylphenyl)methyl]-N-{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-1,3-benzenedicarboxamide molecular structure](/img/chemical/67006204.png)